S-(phenylmethyl) N-[2-(4-dimethylaminophenyl)-1,3-benzoxazol-5-yl]carbamothioate

Systemtic Name: S-(phenylmethyl) N-[2-(4-dimethylaminophenyl)-1,3-benzoxazol-5-yl]carbamothioate Openeye Name: S-benzyl N-[2-(4-dimethylaminophenyl)-1,3-benzoxazol-5-yl]carbamothioate CAS Name: N-[2-(4-dimethylaminophenyl)-1,3-benzoxazol-5-yl]carbamothioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl N-[2-(4-dimethylaminophenyl)-1,3-benzoxazol-5-yl]carbamothioate Traditional Name: N-[2-(4-dimethylaminophenyl)-1,3-benzoxazol-5-yl]thiocarbamic acid S-benzyl ester Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)SCC4=CC=CC=C4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)SCC4=CC=CC=C4

InChI

InChI=1S/C23H21N3O2S/c1-26(2)19-11-8-17(9-12-19)22-25-20-14-18(10-13-21(20)28-22)24-23(27)29-15-16-6-4-3-5-7-16/h3-14H,15H2,1-2H3,(H,24,27)